Theoretical studies on Mechanism and Selectivity of Olefin Cyclopropanation Catalyzed by Engineered

来源 :第十三届全国量子化学会议 | 被引量 : 0次 | 上传用户：ft4200770

【摘要】

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【作者】

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苏浩马广才白洁刘永军

【机构】

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山东大学理论化学研究所济南市历城区山大南路27号 250100

【出处】

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第十三届全国量子化学会议

【发表日期】

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2017年10期

【关键词】

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engineered P450 cyclopropanation stereoselectivity QM/MM QM

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　　Engineered P450s can catalyze the non-natural reactions such as carbine transfer reaction with high efficiency and selectivity [1].Based on the crystal structures(PDB 4H23,4H24),the current work harnesses QM and QM/MM methods to provide insight into the catalysis mechanism and selectivity of the engineered cytochrome P411 enzyme[2].

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Theoretical studies on Mechanism and Selectivity of Olefin Cyclopropanation Catalyzed by Engineered

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